| SpectraBase Compound ID | DhRexqJc8RQ |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-7(2)5-4-6-8(9)10-3/h4-5H,1,6H2,2-3H3/b5-4+ |
| InChIKey | UNFIAPUZOORWPF-SNAWJCMRSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9uYiy9bOZBV |
|---|---|
| Name | 3,5-Hexadienoic acid, 5-methyl-, methyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-7(2)5-4-6-8(9)10-3/h4-5H,1,6H2,2-3H3/b5-4+ |
| InChIKey | UNFIAPUZOORWPF-SNAWJCMRSA-N |
| SMILES | C(=O)(OC)C\C=C\C(=C)C |